N-(6-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide

C14H12BrN3O — CID 166772337

IUPACN-(6-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc(Br)n1)C1Cc2ccccc2N1
InChIInChI=1S/C14H12BrN3O/c15-12-6-3-7-13(17-12)18-14(19)11-8-9-4-1-2-5-10(9)16-11/h1-7,11,16H,8H2,(H,17,18,19)
InChIKeyKKXSXRCBJHMWGI-UHFFFAOYSA-N
MW318.17 g/mol
LogP2.82
Rot. Bonds2

About N-(6-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide

N-(6-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 166772337) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID166772337
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC NameN-(6-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc(Br)n1)C1Cc2ccccc2N1
InChIInChI=1S/C14H12BrN3O/c15-12-6-3-7-13(17-12)18-14(19)11-8-9-4-1-2-5-10(9)16-11/h1-7,11,16H,8H2,(H,17,18,19)
InChIKeyKKXSXRCBJHMWGI-UHFFFAOYSA-N
XLogP2.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromo-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
CID 43520512
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
(2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 81495794
(2S)-N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 104985011
(2S)-N-pyrimidin-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148592
N-(6-bromo-2-pyridinyl)-5-methylpyrrolidine-2-carboxamide
CID 140776721
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892365
(2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148110
(2S)-N-(2,6-difluorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148995
N-(6-bromo-2-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 43520475
(2S)-N-pyrimidin-5-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 107588543
(2S)-N-(2,6-dibromo-4-methylphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61149245

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 166772337) is N-(6-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide is O=C(Nc1cccc(Br)n1)C1Cc2ccccc2N1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is KKXSXRCBJHMWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c15-12-6-3-7-13(17-12)18-14(19)11-8-9-4-1-2-5-10(9)16-11/h1-7,11,16H,8H2,(H,17,18,19).
What are the key properties of N-(6-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide?
N-(6-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 318.17 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 166772337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).